EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C6H8O7.C27H28N2O4 |
| Net Charge | 0 |
| Average Mass | 636.654 |
| Monoisotopic Mass | 636.23191 |
| SMILES | COc1ccc(C(=C(c2ccccc2)[N+](=O)[O-])c2ccc(OCCN3CCCC3)cc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O |
| InChI | InChI=1S/C27H28N2O4.C6H8O7/c1-32-24-13-9-21(10-14-24)26(27(29(30)31)23-7-3-2-4-8-23)22-11-15-25(16-12-22)33-20-19-28-17-5-6-18-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-4,7-16H,5-6,17-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | LHAPNDAERSFWSC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nitromifene citrate (CHEBI:757746) is a stilbenoid (CHEBI:26776) |
| Synonyms | Source |
|---|---|
| CI 628 | ChEMBL |
| CN 55945-27 | ChEMBL |
| Nitromifene citrate | ChEMBL |
| NSC-110407 | ChEMBL |